Showing 41 - 60 results of 77 for search '"Gibbs free energy"', query time: 0.06s Refine Results
  1. 41

    The Effect of CuO on the Thermal Behavior of the High-Energy Combustion Agent of the Al/MnO2 System by Hao Wang, Tao Guo, Wen Ding, Miao Yao, Xiang Fang, Jia-xing Song

    Published 2019-01-01
    “…Then, in order to find out the underlying reasons, CuO effects on the thermal behavior of Al/MnO2 system were analyzed via theoretical calculations of Gibbs free energy and enthalpy changes. In addition, field emission scanning electron microscopy (FE-SEM) that could characterize the mixture morphology and thermogravimetric-differential scanning calorimetry (TG-DSC) that could indentify the exothermic and endothermic reactions and measure mass change were carried out. …”
    Get full text
    Article
  2. 42

    Protection of Brass in HCl Solution by L-Cysteine and Cationic Surfactant by Milan B. Radovanovic, Zaklina Z. Tasic, Marija B. Petrovic Mihajlovic, Milan M. Antonijevic

    Published 2018-01-01
    “…Adsorption of cysteine in hydrochloric acid solution obeys the Langmuir adsorption isotherm. Also, Gibbs free energy of adsorption has a value of −31.5 kJ/mol and indicates strong adsorption of cysteine on the electrode surface.…”
    Get full text
    Article
  3. 43

    SNP Analysis of the SOD1 gene involved in Amyotrophic Lateral Sclerosis (ALS) by Hetal Patel, Anandita Banerjee, Pritha Saha, Subramaniyan Divya, Palaniyandi Ravanan, Priti Talwar

    Published 2025-12-01
    “…The variants with most pathogenicity and clinical significance were further analyzed for stability and found to destabilize the protein structure based on Gibbs Free Energy (ddG) values. These 10 variants were modelled and validated, found occurring mostly in the conserved regions. …”
    Get full text
    Article
  4. 44

    Codeine 3-O-demethylase catalyzed biotransformation of morphinan alkaloids in Escherichia coli: site directed mutagenesis of terminal residues improves enzyme expression, stability... by Garrick W. K. Spencer, Xu Li, Kenny W. L. Lam, George Mutch, Fiona H. Fry, Sally L. Gras

    Published 2025-01-01
    “…Statistical analysis of biotransformation yield, enzyme expression and stability, predicted using changes in Gibbs free energy (ΔΔG) with deep-learning-based model DDmut, suggested that altered enzyme stability and/or expression of soluble protein may contribute to the observed improvements in biotransformation. …”
    Get full text
    Article
  5. 45

    Heat Capacities and Thermodynamic Properties of Pinnoite and Inderite by Hanyu Zheng, Kangrui Sun, Long Li, Yafei Guo, Tianlong Deng

    Published 2020-01-01
    “…On the basis of molar heat capacities (Cp,m) of Pin and Ind, the thermodynamic functions of entropy, enthalpy, and Gibbs free energy at the temperature of 1 K interval for the two minerals were obtained for the first time.…”
    Get full text
    Article
  6. 46

    Bio-waste to environmental purifier: Application of potato peel for acid red 73 adsorption from leather dyeing effluent by Fatema-Tuj Zohra, Sobur Ahmed, Md Zahangir Alam, Md Nurnabi, Nazia Rahman

    Published 2025-06-01
    “…The equilibrium adsorption capacity was 135.34 ± 1.59 mg/g at 298 K, which was decreased to 125.34 ± 1.81, 114.27 ± 1.43, and 104.08 ± 1.53 mg/g at 308, 318 and 328 K, respectively. Negative Gibbs free energy (ΔG) revealed that adsorption of AR 73 dye on PP was spontaneous. …”
    Get full text
    Article
  7. 47

    Research on Sulfate Attack Mechanism of Cement Concrete Based on Chemical Thermodynamics by Peng Liu, Ying Chen, Zhiwu Yu, Lingkun Chen, Yongfeng Zheng

    Published 2020-01-01
    “…Based on principles of chemical thermodynamics, the relationship between temperature and the Gibbs free energy of erosion products generated during the sulfate attack on cement concrete was deduced. …”
    Get full text
    Article
  8. 48

    Curcumin as a potential inhibitor of TGFβ3 computational insights for breast cancer therapy by Ali G. Alkhathami, Mohammad Y. Alshahrani, Saad Ali Alshehri, Nazim Nasir, Shadma Wahab

    Published 2025-01-01
    “…Furthermore, principal component, Gibbs free energy landscape and MMPBSA analysis, signifying system stability. …”
    Get full text
    Article
  9. 49

    Thermodynamics of Cadmium Sorption on Different Soils of West Bengal, India by Tanmoy Karak, Ranjit Kumar Paul, D. K. Das, Romesh K. Boruah, Indira Sonar

    Published 2014-01-01
    “…Thermodynamic parameters, namely, thermodynamics equilibrium constant at a particular temperature T  (KT0), Gibbs free energy at a particular temperature T  (ΔGT0), and change of enthalpy (ΔH0) and change of entropy at temperature T  (ΔST0), were also determined by applying sorption value and concentrations of Cd in equilibrium solution within the temperature range. …”
    Get full text
    Article
  10. 50

    Synthesis and Characterization of Hydroxyapatite- (HAP-) Clay Composites and Adsorption Studies on Methylene Blue for Water Treatment by Ebenezer Annan, Grace Karikari Arkorful, David Sasu Konadu, Bernard Asimeng, David Dodoo-Arhin, Martin Egblewogbe

    Published 2021-01-01
    “…The thermodynamical modeling predicts that based on the value of the change in enthalpy and Gibbs free energy the process was exothermic and spontaneous. …”
    Get full text
    Article
  11. 51

    Simulations of pH and thermal effects on SARS-CoV-2 spike glycoprotein by Ziyuan Niu, Georgios Kementzidis, Miriam Rafailovich, Marcia Simon, Evangelos Papadopoulos, Bertal H. Aktas, Yuefan Deng

    Published 2025-02-01
    “…This effect is primarily pH-driven at extreme acidity and thermo-driven at moderate pH. 3) The Gibbs free energy landscape reveals that pH as the main driver of structural changes. 4) The parametrized methods enable the predictions of the S-protein properties at any reasonable pH and thermal conditions without explicit MD simulations.…”
    Get full text
    Article
  12. 52

    Characterization, Dissolution, and Solubility of Lead Hydroxypyromorphite [Pb5(PO4)3OH] at 25–45°C by Yinian Zhu, Zongqiang Zhu, Xin Zhao, Yanpeng Liang, Yanhua Huang

    Published 2015-01-01
    “…From the obtained solubility data for the dissolution at initial pH 2.00 and 25°C, the Gibbs free energy of formation [ΔGfo] for Pb5(PO4)3OH was calculated to be −3796.71 kJ/mol (−3795.55~−3797.78 kJ/mol).…”
    Get full text
    Article
  13. 53

    Stability of reinforcements (CrB2/TiB2) and lubricants (C/MoS2) in Cu matrix during the sintering process by Chen Zhang, Lei Jia, Jia-mei Zhang, Wu Pan, Zhen-lin Lu, Zhi-guo Xing

    Published 2025-01-01
    “…Both CrB2 and TiB2 can co-exist with C in the Cu matrix, but react with MoS2 to form Cu2S, Mo2S3 as well as ternary CuCrS2 and CuTi2S4 phase, since the negative Gibbs free energy change of the corresponding reaction equations. …”
    Get full text
    Article
  14. 54

    Preparation, Characterization, and Application of Metakaolin-Based Geopolymer for Removal of Methylene Blue from Aqueous Solution by Marouane El Alouani, Saliha Alehyen, Mohammed El Achouri, M’hamed Taibi

    Published 2019-01-01
    “…The thermodynamic parameters, namely, Gibbs free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°), were determined. …”
    Get full text
    Article
  15. 55

    Solubility and thermodynamic analysis of amlodipine besylate in mixtures of propylene glycol and 1-propanol from 293.2 to 323.2 K by Homa Rezaei, Fleming Martinez, William E. Acree Jr, Abolghasem Jouyban

    Published 2025-06-01
    “…In the realm of thermodynamics, the apparent parameters, namely enthalpy, entropy, and Gibbs free energy, pertinent to the dissolution processes of ADB were computed. …”
    Get full text
    Article
  16. 56

    Dissolution and Solubility Product of Cd-Fluorapatite [Cd5(PO4)3F] at pH of 2–9 and 25–45°C by Ju Lin, Zongqiang Zhu, Yinian Zhu, Huili Liu, Lihao Zhang, Zhangnan Jiang

    Published 2018-01-01
    “…Based on the log Ksp values obtained at an initial pH of 2 and 25°C, the Gibbs free energy of formation for Cd5(PO4)3F (ΔGf0) was calculated to be −4065.76 kJ/mol (−4064.11∼−4068.23 kJ/mol). …”
    Get full text
    Article
  17. 57

    Adsorptive Removal of Malachite Green Dye onto Coal-Associated Soil and Conditions Optimization by T. R. Sundararaman, A. Saravanan, P. Senthil Kumar, M. Millicent Mabel, R. V. Hemavathy, S. Karishma, S. Jeevanantham, R. Hemavathi, A. Ishwariya, S. Kowsalya

    Published 2021-01-01
    “…The thermodynamic parameters Gibbs free energy (ΔG°), entropy (ΔS°), and enthalpy (ΔH°) were endorsing that the present adsorption system was exothermic. …”
    Get full text
    Article
  18. 58

    Computational Modeling and Experimental Investigation of CO<sub>2</sub>-Hydrocarbon System Within Cross-Scale Porous Media by Feiyu Chen, Linghui Sun, Bowen Li, Xiuxiu Pan, Boyu Jiang, Xu Huo, Zhirong Zhang, Chun Feng

    Published 2025-01-01
    “…Unlike conventional Gibbs free energy-based models, this approach effectively accounts for confinement-induced deviations in phase equilibrium, ensuring improved predictive accuracy for nanoscale reservoirs. …”
    Get full text
    Article
  19. 59

    Thermodynamic and kinetics analysis of the sulfur-fixed roasting of antimony sulfide using ZnO as sulfur-fixing agent by Ouyang Z., Chen Y.F., Tian S.Y., Xiao L., Tang C.B., Hu Y.J., Xia Z.M., Chen Y.M., Ye L.G.

    Published 2018-01-01
    “…By calculating the thermodynamics of the reactions, we can conclude that the Gibbs Free Energy Change (ΔGθ) of roasting reaction is below -60 kJ/mol and the predominance areas of Sb2O3 and ZnS are wide and right shifting with the temperature increase, which all indicates that this method is theoretically feasible. …”
    Get full text
    Article
  20. 60

    Influence of iron ore concentrate on the characteristics of sintering and reduction of sinter by Guo H., Shen F.-M., Jiang X., Xiang D.-W., Zheng H.-Y.

    Published 2020-01-01
    “…The main reason for this was that the Gibbs free energy of calcium ferrite and dicalcium ferrite (2CaO·SiO2) was higher than that of calcium silicate in the temperature ranges of 400-1600 K. …”
    Get full text
    Article